Electronic Structures of Twisted Bilayer InSe/InSe and Heterobilayer Graphene/InSe | Zendy

Xiaojing Yao | Zendy; Xiuyun Zhang | Zendy

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Electronic Structures of Twisted Bilayer InSe/InSe and Heterobilayer Graphene/InSe

Author(s) -

Xiaojing Yao,

Xiuyun Zhang

Publication year - 2021

Publication title -

acs omega

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.779

H-Index - 40

ISSN - 2470-1343

DOI - 10.1021/acsomega.1c01562

Subject(s) - stacking , bilayer graphene , bilayer , heterojunction , materials science , band gap , van der waals force , graphene , condensed matter physics , density functional theory , electronic structure , polarization (electrochemistry) , electronic band structure , optoelectronics , nanotechnology , chemistry , physics , molecule , computational chemistry , quantum mechanics , membrane , biochemistry , organic chemistry

Building vertical van der Waals heterojunctions between two-dimensional layered materials has become a promising strategy for modulating the properties of two-dimensional materials. Herein, we investigate the electronic structures of non-twisted/twisted bilayer InSe/InSe and heterobilayer graphene/InSe (Gr/InSe) by employing density functional theory calculations. For twisted bilayer InSe/InSes, their interlayer distances and band gaps are almost identical but a bit larger than those of the AB-stacking one due to the spontaneous polarization. Differently, the band gaps of twisted Gr/InSe are found to vary with the rotation angles. Our results provide an effective way to tune the electronic properties of two-dimensional materials.

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